N-[5-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-ethanamide

Systemtic Name: N-[5-[1-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-ethanamide Openeye Name: N-[5-[1-[3-(3-carbamimidoylphenyl)-2-oxo-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-acetamide CAS Name: N-[5-[1-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinoxalinyl]pentyl]-3-pyrrolidinyl]-N-methylacetamide IUPAC Name: N-[5-[1-[3-(3-carbamimidoylphenyl)-2-oxoquinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methylacetamide Traditional Name: N-[5-[1-[3-(3-amidinophenyl)-2-keto-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-acetamide Formula: C27H34N6O2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CC(CN1)N(C)C(=O)C)N2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CCCCC(C1CC(CN1)N(C)C(=O)C)N2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C27H34N6O2/c1-4-5-12-24(22-15-20(16-30-22)32(3)17(2)34)33-23-13-7-6-11-21(23)31-25(27(33)35)18-9-8-10-19(14-18)26(28)29/h6-11,13-14,20,22,24,30H,4-5,12,15-16H2,1-3H3,(H3,28,29)